Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive (MMDBc0009077)
Spectrum Details
| MiMe ID: | MMDBc0009077 |
|---|---|
| Compound Name: | Yaminterritrem A |
| Derivative IUPAC Name: | 4-hydroxy-6-(4-methoxyphenyl)-3-(5-methyl-1-{4-methyl-3-[(trimethylsilyl)oxy]pent-2-en-1-yl}-2-[(trimethylsilyl)oxy]-6-oxabicyclo[3.2.2]non-2-en-9-yl)-2H-pyran-2-one |
| Derivative SMILES: | COC1=CC=C(C2=CC(O)=C(C3CC4(CC=C(O[Si](C)(C)C)C(C)C)COC3(C)CC=C4O[Si](C)(C)C)C(=O)O2)C=C1 |
| Derivative InChIKey: | InChIKey=ZEGBBMDOEGAYGY-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive |
| Splash Key: | Not Available |
| Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
| Ionization Mode: | Positive |
|---|---|
| Ionization Energy: | 70 eV |
| Chromatography Type: | Gas Chromatography Column (GC) |
| Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C27H32O7 |
| Molecular Weight (Monoisotopic Mass): | 468.2148 Da |
| Derivative Type: | TMS_2_5 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References